ethyl 1-isonicotinoyl-4-((4-((2-methylquinolin-4-yl)methoxy)phenyl)sulfonyl)piperidine-4-carboxylate | 1204144-48-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: ethyl 1-isonicotinoyl-4-((4-((2-methylquinolin-4-yl)methoxy)phenyl)sulfonyl)piperidine-4-carboxylate
• CAS: 1204144-48-8
• 化学式: C₃₁H₃₁N₃O₆S
• 分子量: 573.67
• InChiKey: KOYFPQQCRZJOGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.53
• 重原子数：
  41.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  115.76
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl 1-isonicotinoyl-4-((4-((2-methylquinolin-4-yl)methoxy)phenyl)sulfonyl)piperidine-4-carboxylate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and activity of quinolinylmethyl P1′ α-sulfone piperidine hydroxamate inhibitors of TACE

  摘要：

  A series of alpha-sulfone piperidine hydroxamate TACE inhibitors 11a-n bearing a quinolinyl methyl P1' group was prepared, and their activity was compared to analogous alpha- and beta-sulfone piperidine hydroxamates with a butynyloxy P1' group. The quinolinyl methyl P1' group affords increased inhibitory enzyme activity relative to the corresponding butynyloxy P1' analogs in the alpha-sulfone piperidine hydroxamate series, and greater selectivity than the corresponding butynyloxy P1' analogs in the beta-sulfone piperidine hydroxamate series. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.020
• 作为产物：
  描述：

  异烟酸酰氯 、 ethyl 4-((4-((2-methylquinolin-4-yl)methoxy)phenyl)sulfonyl)piperidine-4-carboxylate 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 ethyl 1-isonicotinoyl-4-((4-((2-methylquinolin-4-yl)methoxy)phenyl)sulfonyl)piperidine-4-carboxylate
  参考文献：
  名称：

  Synthesis and activity of quinolinylmethyl P1′ α-sulfone piperidine hydroxamate inhibitors of TACE

  摘要：

  A series of alpha-sulfone piperidine hydroxamate TACE inhibitors 11a-n bearing a quinolinyl methyl P1' group was prepared, and their activity was compared to analogous alpha- and beta-sulfone piperidine hydroxamates with a butynyloxy P1' group. The quinolinyl methyl P1' group affords increased inhibitory enzyme activity relative to the corresponding butynyloxy P1' analogs in the alpha-sulfone piperidine hydroxamate series, and greater selectivity than the corresponding butynyloxy P1' analogs in the beta-sulfone piperidine hydroxamate series. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.020